13-oxidanyl-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one

Systemtic Name: 13-oxidanyl-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Openeye Name: 13-hydroxy-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one CAS Name: 13-hydroxy-7-[3-(1-pyrrolidin-1-iumyl)propylamino]-8-naphtho[3,2-a]phenoxazin-14-iumone IUPAC Name: 13-hydroxy-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Traditional Name: 13-hydroxy-7-(3-pyrrolidin-1-ium-1-ylpropylamino)naphtho[3,2-a]phenoxazin-14-ium-8-one Formula: C27H27N3O3+2 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

Isomeric SMILES

C1CC[NH+](C1)CCCNC2=C3C(=C(C4=CC=CC=C4C3=O)O)C5=[NH+]C6=CC=CC=C6OC5=C2

InChI

InChI=1S/C27H25N3O3/c31-26-17-8-1-2-9-18(17)27(32)24-23(26)20(28-12-7-15-30-13-5-6-14-30)16-22-25(24)29-19-10-3-4-11-21(19)33-22/h1-4,8-11,16,28,32H,5-7,12-15H2/p+2